9-Azabicyclo(3.3.1)nonane, 9-methyl-
TL;DR: 9-Azabicyclo(3.3.1)nonane, 9-methyl- (CAS 491-25-8) is a chemical compound with molecular formula CN1C2CCCC1CCC2 and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-9-azabicyclo[3.3.1]nonane
Also Known As: 9-Methyl-9-azabicyclo[3.3.1]nonane, Granatan, Granatane, 3-Chlorocyclohex-2-enone, 9-Azabicyclo(3.3.1)nonane, 9-methyl-
| Molecular Formula | CN1C2CCCC1CCC2 |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 491-25-8 |
|---|---|
| SMILES | CN1C2CCCC1CCC2 |
| InChIKey | ODWVFJUVKLPMDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Azabicyclo(3.3.1)nonane, 9-methyl- (CAS 491-25-8), with molecular formula CN1C2CCCC1CCC2 and molecular weight 139.14 g/mol. IUPAC: 9-methyl-9-azabicyclo[3.3.1]nonane.
Chemical Property Profile of 9-Azabicyclo(3.3.1)nonane, 9-methyl-
Property Insights of 9-Azabicyclo(3.3.1)nonane, 9-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo(3.3.1)nonane, 9-methyl-. With a topological polar surface area (TPSA) of 3.2 Ų, 9-Azabicyclo(3.3.1)nonane, 9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(3.3.1)nonane, 9-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Azabicyclo(3.3.1)nonane, 9-methyl-?
The CAS number of 9-Azabicyclo(3.3.1)nonane, 9-methyl- is 491-25-8.
What is the molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-methyl-?
The molecular formula of 9-Azabicyclo(3.3.1)nonane, 9-methyl- is CN1C2CCCC1CCC2.
What is the molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-methyl-?
The molecular weight of 9-Azabicyclo(3.3.1)nonane, 9-methyl- is 139.14 g/mol.
Where can I buy 9-Azabicyclo(3.3.1)nonane, 9-methyl-?
You can request a quote for 9-Azabicyclo(3.3.1)nonane, 9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Azabicyclo(3.3.1)nonane, 9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 9-Azabicyclo(3.3.1)nonane, 9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.